methyl 2-(ethylideneamino)acetate

C5H9NO2 — CID 54472007

IUPACmethyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-6-4-5(7)8-2/h3H,4H2,1-2H3/b6-3+
InChIKeyXIZVCZLGIYDNAB-ZZXKWVIFSA-N
MW115.13 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-(ethylideneamino)acetate

methyl 2-(ethylideneamino)acetate (PubChem CID 54472007) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl 2-(ethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(ethylideneamino)acetate
PubChem CID54472007
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-6-4-5(7)8-2/h3H,4H2,1-2H3/b6-3+
InChIKeyXIZVCZLGIYDNAB-ZZXKWVIFSA-N
XLogP0.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylideneamino)acetate?
The IUPAC name of methyl 2-(ethylideneamino)acetate (CID 54472007) is methyl 2-(ethylideneamino)acetate.
What is the SMILES notation for methyl 2-(ethylideneamino)acetate?
The canonical SMILES for methyl 2-(ethylideneamino)acetate is C/C=N/CC(=O)OC.
What is the InChIKey of methyl 2-(ethylideneamino)acetate?
The InChIKey is XIZVCZLGIYDNAB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-6-4-5(7)8-2/h3H,4H2,1-2H3/b6-3+.
What are the key properties of methyl 2-(ethylideneamino)acetate?
methyl 2-(ethylideneamino)acetate has a molecular weight of 115.13 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylideneamino)acetate is sourced from PubChem (CID 54472007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).